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view template_parmconv.j2 @ 12:7e0b829bbc22 draft

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"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit f6acbf6f5875904c5b0c69445da0bf44932611c6"
author chemteam
date Tue, 30 Nov 2021 10:00:14 +0000
parents c8cdde00b105
children
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# Template for parmconv in Galaxy
{% if fmt == 'AMBER' %}
parm {{ top_in }}
{% elif fmt == 'GROMACS' %}
gromber {{ top_in }} {{str_in}}
{% elif fmt == 'CHARMM' %}
chamber {{ top_in }} {{str_in}}
{% else %}
parm {{ top_in }}
{% endif %}
strip {{ stripmask }}
summary
outparm {{ prmtop_out }}
quit